UCSF

ZINC03558545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 7.14 -17.47 1 5 0 64 341.383 7
Hi High (pH 8-9.5) 3.69 6.24 -48.73 0 5 -1 70 340.375 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )